3-hydroxypropyl 2-methylprop-2-enoate

C7H12O3 — CID 17694

IUPAC3-hydroxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCO
InChIInChI=1S/C7H12O3/c1-6(2)7(9)10-5-3-4-8/h8H,1,3-5H2,2H3
InChIKeyGNSFRPWPOGYVLO-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.49
Rot. Bonds4

About 3-hydroxypropyl 2-methylprop-2-enoate

3-hydroxypropyl 2-methylprop-2-enoate (PubChem CID 17694) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-hydroxypropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-hydroxypropyl 2-methylprop-2-enoate
PubChem CID17694
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3-hydroxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCO
InChIInChI=1S/C7H12O3/c1-6(2)7(9)10-5-3-4-8/h8H,1,3-5H2,2H3
InChIKeyGNSFRPWPOGYVLO-UHFFFAOYSA-N
XLogP0.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxyethyl Methacrylate
CID 13360
Ethyl Methacrylate
CID 7343
n-Propyl methacrylate
CID 16638
Hydroxypropyl Methacrylate
CID 34023
Glyceryl methacrylate
CID 65442
Methyl 2-(hydroxymethyl)prop-2-enoate
CID 11815329
Ethyl 2-(hydroxymethyl)-2-propenoate
CID 24827
4-Hydroxybutyl methacrylate
CID 70457
2-(Hydroxymethyl)-2-(((2-methyl-1-oxoallyl)oxy)methyl)-1,3-propanediyl bismethacrylate
CID 77057
2-Methylprop-2-enoic acid;propane-1,3-diol
CID 16212971
Methallyl methacrylate
CID 229993
2-Propenoic acid, 2-methyl-, 3-hydroxybutyl ester
CID 3017987

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl 2-methylprop-2-enoate?
The IUPAC name of 3-hydroxypropyl 2-methylprop-2-enoate (CID 17694) is 3-hydroxypropyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-hydroxypropyl 2-methylprop-2-enoate?
The canonical SMILES for 3-hydroxypropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCO.
What is the InChIKey of 3-hydroxypropyl 2-methylprop-2-enoate?
The InChIKey is GNSFRPWPOGYVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-6(2)7(9)10-5-3-4-8/h8H,1,3-5H2,2H3.
What are the key properties of 3-hydroxypropyl 2-methylprop-2-enoate?
3-hydroxypropyl 2-methylprop-2-enoate has a molecular weight of 144.17 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl 2-methylprop-2-enoate is sourced from PubChem (CID 17694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).